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Ligand ID | 0K3 |
InChI | InChI=1S/C40H67O4P/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-44-45(41,42)43/h17,19,21,23,25,27,29,31H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H2,41,42,43)/b34-19-,35-21-,36-23-,37-25-,38-27-,39-29-,40-31- |
InChIKey | KVTNIWHEHVWGJC-DLTKSLTJSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.7.6 | CC(=CCC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\COP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)C | OpenEye OEToolkits 1.7.6 | CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)O)C)C)C)C)C)C)C)C | CACTVS 3.370 | CC(C)=CCCC(/C)=C\CCC(/C)=C\CCC(/C)=C\CCC(/C)=C\CCC(/C)=C\CCC(/C)=C\CCC(/C)=C\CO[P](O)(O)=O | CACTVS 3.370 | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(O)=O | ACDLabs 12.01 | O=P(OC\C=C(/CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC/C=C(/C)CC\C=C(/C)C)C)(O)O |
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Formula | C40 H67 O4 P |
Name | (2Z,6Z,10Z,14Z,18Z,22Z,26Z)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl dihydrogen phosphate |
ChEMBL | |
DrugBank | |
ZINC | ZINC000098207817
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PDB chain | 6s7t Chain A Residue 921
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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